SCHEMBL3209936

SCHEMBL3209936

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3198860 0.84 TTR (0.59) TTRTDP1MEN1MAPTKMT2A
SCHEMBL1494244 0.82 TDP1 (0.58) CYP1A2CYP2C9CYP2C19TDP1MEN1
SCHEMBL30038601 0.82 TDP1 (0.58) CYP1A2CYP2C9CYP2C19TDP1MEN1
SCHEMBL9171793 0.82 CYP1A2 (0.64) TTRCYP1A2CYP2C9CYP2C19TDP1
SCHEMBL3189778 0.79 CYP19A1 (0.47) TTRMAPTPOLBCYP19A1
SCHEMBL27735232 0.77 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19MEN1MAPT
SCHEMBL13114500 0.76 CYP1A2 (0.58) TTRCYP1A2CYP2C9CYP2C19TDP1
SCHEMBL28131718 0.76 TDP1 (0.51) CYP1A2CYP2C9CYP2C19TDP1MEN1
SCHEMBL8141281 0.75 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19MEN1MAPT
SCHEMBL29519502 0.75 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19TDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-20140213589-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA S.A.S. (FR) 2014-07-31 US disclosed
US-20140213589-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA S.A.S. (FR) 2014-07-31 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
EP-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed
EP-1845087-A1 Hydroxyphenyl derivatives and biological applications thereof Mutabilis SA (FR) 2007-10-17 EP disclosed
EP-1845087-A1 Hydroxyphenyl derivatives and biological applications thereof Mutabilis SA (FR) 2007-10-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140213589-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX TTR 2670/4885CYP1A2 76/4885CYP2C9 418/4885
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof HPD, HPGDS, EPX TTR 2670/4885CYP1A2 76/4885CYP2C9 418/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX TTR 2670/4885CYP1A2 76/4885CYP2C9 418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.